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TitleConformational Control Inhibition of the BCR-ABL1 Tyrosine Kinase, Including the Gatekeeper T315I Mutant, by the Switch-Control Inhibitor DCC-2036.
Journal, issue, pagesCancer Cell, Vol. 19, Page 556-568, Year 2011
Publish dateFeb 18, 2011 (structure data deposition date)
AuthorsChan, W.W. / Wise, S.C. / Kaufman, M.D. / Ahn, Y.M. / Ensinger, C.L. / Haack, T. / Hood, M.M. / Jones, J. / Lord, J.W. / Lu, W.P. ...Chan, W.W. / Wise, S.C. / Kaufman, M.D. / Ahn, Y.M. / Ensinger, C.L. / Haack, T. / Hood, M.M. / Jones, J. / Lord, J.W. / Lu, W.P. / Miller, D. / Patt, W.C. / Smith, B.D. / Petillo, P.A. / Rutkoski, T.J. / Telikepalli, H. / Vogeti, L. / Yao, T. / Chun, L. / Clark, R. / Evangelista, P. / Gavrilescu, L.C. / Lazarides, K. / Zaleskas, V.M. / Stewart, L.J. / Van Etten, R.A. / Flynn, D.L.
External linksCancer Cell / PubMed:21481795
MethodsX-ray diffraction
Resolution1.82 - 2.3 Å
Structure data

PDB-3qri:
The crystal structure of human abl1 kinase domain in complex with DCC-2036
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-3qrj:
The crystal structure of human abl1 kinase domain T315I mutant in complex with DCC-2036
Method: X-RAY DIFFRACTION / Resolution: 1.82 Å

PDB-3qrk:
The crystal structure of human abl1 kinase domain in complex with DP-987
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-NA:
Unknown entry

ChemComp-919:
4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide

ChemComp-HOH:
WATER

ChemComp-9DP:
(3S)-6-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / ABL1 / KINASE / KINASE DOMAIN / TRANSFERASE-TRANSFERASE INHIBITOR complex / T315I / gatekeeper mutation

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